2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione

C12H19N3O2 — CID 76998420

IUPAC2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C2(N)CCCC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-2-5-8-9(16)14-11(15-10(8)17)12(13)6-3-4-7-12/h8H,2-7,13H2,1H3,(H,14,15,16,17)
InChIKeyWKEMGTTUGPHTLA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.73
Rot. Bonds3

About 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione

2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione (PubChem CID 76998420) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione
PubChem CID76998420
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C2(N)CCCC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-2-5-8-9(16)14-11(15-10(8)17)12(13)6-3-4-7-12/h8H,2-7,13H2,1H3,(H,14,15,16,17)
InChIKeyWKEMGTTUGPHTLA-UHFFFAOYSA-N
XLogP0.73
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550726
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-Butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 54556101
2-(2-Methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 59138292
4-Methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one
CID 123926240
2-Propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 138707399
2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane
CID 142926632
2-Pentyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 143398952
2-cyclohexyl-4,4-diethyl-1H-imidazol-5-one
CID 144081678
2-(2-Tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 164766019
2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane
CID 170592119

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione (CID 76998420) is 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione is CCCC1C(=O)N=C(C2(N)CCCC2)NC1=O.
What is the InChIKey of 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is WKEMGTTUGPHTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-5-8-9(16)14-11(15-10(8)17)12(13)6-3-4-7-12/h8H,2-7,13H2,1H3,(H,14,15,16,17).
What are the key properties of 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione?
2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 237.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).